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ID: ALA2374311
Max Phase: Preclinical
Molecular Formula: C7H11AgCl2N2O2
Molecular Weight: 167.04
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(=O)[O-].CN1CN(C)C(Cl)=C1Cl.[Ag+]
Standard InChI: InChI=1S/C5H8Cl2N2.C2H4O2.Ag/c1-8-3-9(2)5(7)4(8)6;1-2(3)4;/h3H2,1-2H3;1H3,(H,3,4);/q;;+1/p-1
Standard InChI Key: DHFWVXUMJGSXSR-UHFFFAOYSA-M
Associated Targets(non-human)
Burkholderia multivorans 77 Activities
Pseudomonas aeruginosa 123386 Activities
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Burkholderia cepacia 649 Activities
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Burkholderia cenocepacia 164 Activities
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Escherichia coli 133304 Activities
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 167.04 | Molecular Weight (Monoisotopic): 166.0065 | AlogP: 1.43 | #Rotatable Bonds: 0 |
| Polar Surface Area: 6.48 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.84 | CX LogD: 1.84 |
| Aromatic Rings: 0 | Heavy Atoms: 9 | QED Weighted: 0.50 | Np Likeness Score: -0.10 |
References
| 1. Hindi KM, Siciliano TJ, Durmus S, Panzner MJ, Medvetz DA, Reddy DV, Hogue LA, Hovis CE, Hilliard JK, Mallet RJ, Tessier CA, Cannon CL, Youngs WJ.. (2008) Synthesis, stability, and antimicrobial studies of electronically tuned silver acetate N-heterocyclic carbenes., 51 (6): [PMID:18288795] [10.1021/jm0708679] |
Source
Source(1):